4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine

C15H16IN3S — CID 71472465

IUPAC4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
SMILESCC1CCC/C1=N/Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C15H16IN3S/c1-10-3-2-4-13(10)18-19-15-17-14(9-20-15)11-5-7-12(16)8-6-11/h5-10H,2-4H2,1H3,(H,17,19)/b18-13-
InChIKeyWCVCZHGQQRFJHU-AQTBWJFISA-N
MW397.29 g/mol
LogP5.00
Rot. Bonds3

About 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine

4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine (PubChem CID 71472465) has the molecular formula C15H16IN3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
PubChem CID71472465
Molecular FormulaC15H16IN3S
Molecular Weight397.29 g/mol
Exact Mass397.01
IUPAC Name4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
SMILESCC1CCC/C1=N/Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C15H16IN3S/c1-10-3-2-4-13(10)18-19-15-17-14(9-20-15)11-5-7-12(16)8-6-11/h5-10H,2-4H2,1H3,(H,17,19)/b18-13-
InChIKeyWCVCZHGQQRFJHU-AQTBWJFISA-N
XLogP5.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.29
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-[(E)-(2-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 52949315
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 11820967
4-(4-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]-1,3-thiazol-2-amine
CID 155524455
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
4-(4-chlorophenyl)-N-[(Z)-[(1R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
CID 7344988
4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
CID 23376404
4-(4-chlorophenyl)-N-[(E)-[(1R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
CID 7431086
4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 90676871
N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
CID 6923298
N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 139230210

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine (CID 71472465) is 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine is CC1CCC/C1=N/Nc1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine?
The InChIKey is WCVCZHGQQRFJHU-AQTBWJFISA-N. The full InChI is InChI=1S/C15H16IN3S/c1-10-3-2-4-13(10)18-19-15-17-14(9-20-15)11-5-7-12(16)8-6-11/h5-10H,2-4H2,1H3,(H,17,19)/b18-13-.
What are the key properties of 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine?
4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine has a molecular weight of 397.29 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71472465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).